M3G
Summary
| Name: | polyoxomolybdate cluster Mo6 |
| Formula: | Mo6 O27 |
| Formal charge: | null |
| Formula weight: | 1007.624 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | 1,1,1,3,3,3,5,5,5,7,7,7,9,9,9,11,11,11-octadecakis($l^{1}-oxidanyl)-2$l^{3},4,6$l^{3},8,10,12,13$l^{3},14,15-nonaoxa-1$l^{7},3$l^{6},5$l^{7},7$l^{6},9$l^{7},11$l^{6}-hexamolybdaheptacyclo[7.3.1.1^{1,3}.1^{5,7}.0^{2,5}.0^{6,9}.0^{11,13}]pentadecane |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/6Mo.18H2O.9O/h;;;;;;18*1H2;;;;;;;;;/q6*+3;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-18 |
| InChIKey | InChI | 1.06 | CGGIVYABPFVEGC-UHFFFAOYSA-A |
| SMILES_CANONICAL | CACTVS | 3.385 | O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O1[Mo]2O[Mo]1O[Mo]3O[Mo](O3)O[Mo]4O[Mo](O2)O4 |
| SMILES | CACTVS | 3.385 | O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O1[Mo]2O[Mo]1O[Mo]3O[Mo](O3)O[Mo]4O[Mo](O2)O4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | [O][Mo]12(O[Mo]34(O1[Mo]5(O2)(O[Mo]6(O5[Mo]7(O6)(O3[Mo](O4)(O7)([O])([O])[O])([O])([O])[O])([O])([O])[O])([O])([O])[O])([O])([O])[O])([O])[O] |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | [O][Mo]12(O[Mo]34(O1[Mo]5(O2)(O[Mo]6(O5[Mo]7(O6)(O3[Mo](O4)(O7)([O])([O])[O])([O])([O])[O])([O])([O])[O])([O])([O])[O])([O])([O])[O])([O])[O] |
